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Forecasting Multivariate Time Series under Predictive Heterogeneity: A Validation-Driven Clustering Framework

Ma, Ziling, Oriona, Ángel López, Ombao, Hernando, Sun, Ying

arXiv.org Machine Learning

We study adaptive pooling under predictive heterogeneity in high-dimensional multivariate time series forecasting, where global models improve statistical efficiency but may fail to capture heterogeneous predictive structure, while naive specialization can induce negative transfer. We formulate adaptive pooling as a statistical decision problem and propose a validation-driven framework that determines when and how specialization should be applied. Rather than grouping series based on representation similarity, we define partitions through out-of-sample predictive performance, thereby aligning data organization with predictive risk, defined as expected out-of-sample loss and approximated via validation error. Cluster assignments are iteratively updated using validation losses for both point (Huber) and probabilistic (pinball) forecasting, improving robustness to heavy-tailed errors and local anomalies. To ensure reliability, we introduce a leakage-free fallback mechanism that reverts to a global model whenever specialization fails to improve validation performance, providing a safeguard against performance degradation under a strict training-validation-test protocol. Experiments on large-scale traffic datasets demonstrate consistent improvements over strong baselines while avoiding degradation when heterogeneity is weak. Overall, the proposed framework provides a principled and practically reliable approach to adaptive pooling in high-dimensional forecasting problems.


Aligning Validation with Deployment: Target-Weighted Cross-Validation for Spatial Prediction

Brenning, Alexander, Suesse, Thomas

arXiv.org Machine Learning

Cross-validation (CV) is commonly used to estimate predictive risk when independent test data are unavailable. Its validity depends on the assumption that validation tasks are sampled from the same distribution as prediction tasks encountered during deployment. In spatial prediction and other settings with structured data, this assumption is frequently violated, leading to biased estimates of deployment risk. We propose Target-Weighted CV (TWCV), an estimator of deployment risk that accounts for discrepancies between validation and deployment task distributions, thus accounting for (1) covariate shift and (2) task-difficulty shift. We characterize prediction tasks by descriptors such as covariates and spatial configuration. TWCV assigns weights to validation losses such that the weighted empirical distribution of validation tasks matches the corresponding distribution over a target domain. The weights are obtained via calibration weighting, yielding an importance-weighted estimator that targets deployment risk. Since TWCV requires adequate coverage of the deployment distribution's support, we combine it with spatially buffered resampling that diversifies the task difficulty distribution. In a simulation study, conventional as well as spatial estimators exhibit substantial bias depending on sampling, whereas buffered TWCV remains approximately unbiased across scenarios. A case study in environmental pollution mapping further confirms that discrepancies between validation and deployment task distributions can affect performance assessment, and that buffered TWCV better reflects the prediction task over the target domain. These results establish task distribution mismatch as a primary source of CV bias in spatial prediction and show that calibration weighting combined with a suitable validation task generator provides a viable approach to estimating predictive risk under dataset shift.


Neural Network Models for Contextual Regression

Kiatsupaibul, Seksan, Chansiripas, Pakawan

arXiv.org Machine Learning

We propose a neural network model for contextual regression in which the regression model depends on contextual features that determine the active submodel and an algorithm to fit the model. The proposed simple contextual neural network (SCtxtNN) separates context identification from context-specific regression, resulting in a structured and interpretable architecture with fewer parameters than a fully connected feed-forward network. We show mathematically that the proposed architecture is sufficient to represent contextual linear regression models using only standard neural network components. Numerical experiments are provided to support the theoretical result, showing that the proposed model achieves lower excess mean squared error and more stable performance than feed-forward neural networks with comparable numbers of parameters, while larger networks improve accuracy only at the cost of increased complexity. The results suggest that incorporating contextual structure can improve model efficiency while preserving interpretability.


On the Role of Batch Size in Stochastic Conditional Gradient Methods

Islamov, Rustem, Machacek, Roman, Lucchi, Aurelien, Silveti-Falls, Antonio, Gorbunov, Eduard, Cevher, Volkan

arXiv.org Machine Learning

We study the role of batch size in stochastic conditional gradient methods under a $μ$-Kurdyka-Łojasiewicz ($μ$-KL) condition. Focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion), we derive a new analysis that explicitly captures the interaction between stepsize, batch size, and stochastic noise. Our study reveals a regime-dependent behavior: increasing the batch size initially improves optimization accuracy but, beyond a critical threshold, the benefits saturate and can eventually degrade performance under a fixed token budget. Notably, the theory predicts the magnitude of the optimal stepsize and aligns well with empirical practices observed in large-scale training. Leveraging these insights, we derive principled guidelines for selecting the batch size and stepsize, and propose an adaptive strategy that increases batch size and sequence length during training while preserving convergence guarantees. Experiments on NanoGPT are consistent with the theoretical predictions and illustrate the emergence of the predicted scaling regimes. Overall, our results provide a theoretical framework for understanding batch size scaling in stochastic conditional gradient methods and offer guidance for designing efficient training schedules in large-scale optimization.